mirror of https://github.com/lammps/lammps.git
88 lines
2.9 KiB
C++
88 lines
2.9 KiB
C++
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// unit tests for extracting compute data from a LAMMPS instance through the
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// Fortran wrapper
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#include <cstdio>
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#include "lammps.h"
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#include "library.h"
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#include <mpi.h>
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#include <string>
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#include <cstdlib>
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#include <cstdint>
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#include "gtest/gtest.h"
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#define STRINGIFY(val) XSTR(val)
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#define XSTR(val) #val
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// prototypes for Fortran reverse wrapper functions
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extern "C" {
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void *f_lammps_with_c_args(int,char**);
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void f_lammps_close();
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void f_lammps_setup_extract_variable();
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int f_lammps_extract_variable_index_1();
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int f_lammps_extract_variable_index_2();
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int f_lammps_extract_variable_loop();
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double f_lammps_extract_variable_loop_pad();
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void f_lammps_setup_extract_variable_world();
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void f_lammps_setup_extract_variable_universe();
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int f_lammps_setup_extract_variable_uloop();
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void f_lammps_setup_extract_variable_string();
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void f_lammps_setup_extract_variable_format();
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void f_lammps_setup_extract_variable_getenv();
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void f_lammps_setup_extract_variable_file();
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void f_lammps_setup_extract_variable_atomfile();
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double f_lammps_setup_extract_variable_python();
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double f_lammps_setup_extract_variable_timer();
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double f_lammps_setup_extract_variable_internal();
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double f_lammps_extract_variable_equal_natoms();
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double f_lammps_extract_variable_equal_dt();
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double f_lammps_extract_variable_vector(int);
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double f_lammps_extract_variable_atom(int);
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}
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class LAMMPS_extract_variable : public ::testing::Test {
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protected:
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LAMMPS_NS::LAMMPS *lmp;
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LAMMPS_extract_variable() = default;
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~LAMMPS_extract_variable() override = default;
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void SetUp() override
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{
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const char *args[] = {"LAMMPS_Fortran_test", "-l", "none",
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"-echo", "screen", "-nocite", "-var",
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"input_dir", STRINGIFY(TEST_INPUT_FOLDER),
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"-var", "zpos", "1.5", "-var", "x", "2"};
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char** argv = (char**) args;
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int argc = sizeof(args) / sizeof(const char*);
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::testing::internal::CaptureStdout();
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std::fprintf(stderr,"THIS IS A TEST\n");
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lmp = (LAMMPS_NS::LAMMPS*)f_lammps_with_c_args(argc, argv);
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std::string output = ::testing::internal::GetCapturedStdout();
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EXPECT_STREQ(output.substr(0, 8).c_str(), "LAMMPS (");
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}
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void TearDown() override
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{
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::testing::internal::CaptureStdout();
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f_lammps_close();
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std::string output = ::testing::internal::GetCapturedStdout();
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EXPECT_STREQ(output.substr(0, 16).c_str(), "Total wall time:");
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lmp = nullptr;
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}
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};
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TEST_F(LAMMPS_extract_variable, index)
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{
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f_lammps_setup_extract_variable();
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EXPECT_EQ(f_lammps_extract_variable_index_1(), 1);
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EXPECT_EQ(f_lammps_extract_variable_index_2(), 0);
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lammps_command(lmp, "next idx");
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EXPECT_EQ(f_lammps_extract_variable_index_1(), 0);
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EXPECT_EQ(f_lammps_extract_variable_index_2(), 1);
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};
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TEST_F(LAMMPS_extract_variable, loop)
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{
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f_lammps_setup_extract_variable();
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EXPECT_EQ(f_lammps_extract_variable_loop(), 1);
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};
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